RefChem:1051484

bis[2-(1-methylpiperidin-1-ium-1-yl)ethyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide

Also Known As: Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)|1,1'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxyethane-2,1-diyl))bis(1-methylpiperidin-1-ium) diiodide|1,1'-[(2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxyethane-2,1-diyl)]bis(1-methylpiperidin-1-ium) diiodide|bis[2-(1-methylpiperidin-1-ium-1-yl)ethyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide

Molecular Formula	C34H48I2N2O4
Molecular Weight	802.17035 g/mol
LogP	-0.8446
Topological Polar Surface Area	52.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	12
Exact Mass	802.17035
Monoisotopic Mass	802.17035
Heavy Atoms	42
Complexity	742.0

Chemical Identifiers

CAS Number	10084-45-4
SMILES	C[N+]1(CCCCC1)CCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCC[N+]4(CCCCC4)C)C5=CC=CC=C5.[I-].[I-]
InChIKey	LNNSNVXELWEVHW-UHFFFAOYSA-L